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Chemical ID: 5294854
Chemical ID:
5294854
Name [?]:
None
SMILES [?]:
CCc1ccc(cc1)C2(Nc3ccccc3-c4n2c5ccccc5n4)C
InChi [?]:
InChI=1/C23H21N3/c1-3-16-12-14-17(15-13-16)23(2)25-19-9-5-4-8-18(19)22-24-20-10-6-7-11-21(20)26(22)23/h4-15,25H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,2,14,13,22,21,15,12,23,20,4,8,5,7,3,6,16,11,24,19,17,9,25,10,18/E:(12,13)(14,15)/rA:26cCCCCCCCCCNCCCCCCCNCCCCCCNC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s13;d14;d11s15;s16;s9s17;s18;s19;d20;s21;d22;d19s23;d17s24;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21N3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.3762 |
Area: | 522.054 |
Solvation: | -1.67513 |
Coulombic: | -28.3872 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 339.433 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.97 |
LogP (Chemaxon): | 7.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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